N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide

C14H17N3O2S — CID 106936304

IUPACN-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)c2ccncc2)cc1
InChIInChI=1S/C14H17N3O2S/c1-15-11-12-3-5-14(6-4-12)20(18,19)17(2)13-7-9-16-10-8-13/h3-10,15H,11H2,1-2H3
InChIKeyFFGRETIPPFUJGL-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.63
Rot. Bonds5

About N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide

N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106936304) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106936304
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)c2ccncc2)cc1
InChIInChI=1S/C14H17N3O2S/c1-15-11-12-3-5-14(6-4-12)20(18,19)17(2)13-7-9-16-10-8-13/h3-10,15H,11H2,1-2H3
InChIKeyFFGRETIPPFUJGL-UHFFFAOYSA-N
XLogP1.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824808
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106936969
N-(1-hydroxypropan-2-yl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 104552576
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937024
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564
3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934458
3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
N-methyl-4-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860031

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide (CID 106936304) is N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)c2ccncc2)cc1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is FFGRETIPPFUJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-15-11-12-3-5-14(6-4-12)20(18,19)17(2)13-7-9-16-10-8-13/h3-10,15H,11H2,1-2H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide?
N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106936304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).